Journal ArticleDOI
DFT computational insights into structural, electronic and spectroscopic parameters of 2-(2-Hydrazineyl)thiazole derivatives: a concise theoretical and experimental approach
Reads0
Chats0
TLDR
It has been uncovered that compounds containing thiazole moiety display noteworthy biological properties, which have attracted the attention of many researchers in chemical biology as well as in me... as discussed by the authors.About:
This article is published in Journal of Sulfur Chemistry.The article was published on 2021-03-04. It has received 17 citations till now. The article focuses on the topics: Thiazole & Moiety.read more
Citations
More filters
Journal ArticleDOI
Microwave prompted solvent-free synthesis of new series of heterocyclic tagged 7-arylidene indanone hybrids and their computational, antifungal, antioxidant, and cytotoxicity study.
Vishnu A. Adole,Rahul A. More,Bapu S. Jagdale,Thansing B. Pawar,Santosh S. Chobe,Rahul A. Shinde,Sunil L. Dhonnar,Prashant Bhimrao Koli,Arun V. Patil,Abhijit R. Bukane,Rajesh N. Gacche +10 more
TL;DR: In this article, the authors reported the expeditious synthesis of ten new antifungal and antioxidant agents containing heterocyclic linked 7-arylidene indanone moiety.
Journal ArticleDOI
Synthesis, antibacterial and computational studies of Halo Chalcone hybrids from 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one
TL;DR: In this paper, a series of 6 1,4-benzodioxan-6-yl substituted chalcone derivatives were synthesized by the base-catalyzed Claisen-Schmidt reaction of the 1-(2,3-dihydrobenzo[b][1,4]dioxin-6]-ethan-1-one with fluoro and chloro substituted aromatic aldehydes.
Journal ArticleDOI
Synthesis, Computational, Antibacterial and Antifungal Investigation of Two Tri-Fluorinated Chalcones of 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one
TL;DR: In this article, the combined experimental and computational study along with antimicrobial screening of two tri-fluorinated chalcones from 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl) was reported.
Journal ArticleDOI
Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
TL;DR: The (3,5-diphenyl-4,5dihydro-1H-pyrazol-1-yl)(phenyl)methanone (DPPPM) was synthesized by using rapid and recyclable reaction media polyethylene glycol-400 (PEG-400) and catalytic amount of acetic acid as mentioned in this paper.
Journal ArticleDOI
Ultrasound Assisted Synthesis, Molecular Structure,UV-Visible Assignments, MEP and Mulliken Charges Study of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl) prop-2-en-1-one: Experimental and DFT Correlational
TL;DR: Shinde et al. as mentioned in this paper presented a density functional theory study of a chalcone derivative; (E)-3-(4-chlorophenyl)-1-(4methoxyphenyl)prop-2-en-1-one (CPMPP).
References
More filters
Journal ArticleDOI
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
TL;DR: In this paper, Fock's Naherungsmethode zur Behandung des quantenmechanischen Mehrelektronenproblems aufgestellten Gleichungen werden auf etwas allgemeinerer Grundlage diskutiert.
Journal ArticleDOI
Perspective on density functional theory
TL;DR: This perspective reviews some recent progress and ongoing challenges in density functional theory.
Journal ArticleDOI
Density functional theory for chemical engineering: From capillarity to soft materials
TL;DR: In this article, the authors summarized the recent advances of classical density functional theory with emphasis on applications to quantitative modeling of the phase and interfacial behavior of condensed fluids and soft materials, including colloids, polymer solutions, nanocomposites, liquid crystals, and biological systems.
Journal ArticleDOI
Neurochemical properties of ramelteon (TAK-375), a selective MT1/MT2 receptor agonist.
Koki Kato,Keisuke Hirai,Keiji Nishiyama,Osamu Uchikawa,Kohji Fukatsu,Shigenori Ohkawa,Yuji Kawamata,Shuji Hinuma,Masaomi Miyamoto +8 more
TL;DR: Results indicate that ramelteon is a potent and highly selective agonist of MT1/MT2 melatonin receptors and inhibited forskolin-stimulated cAMP production in the CHO cells that express the human MT1 or MT2 receptors.
Journal ArticleDOI
Diabetes mellitus and its treatment
TL;DR: Diet and lifestyle strategies are to reduce weight, improve glycaemic control and reduce the risk of cardiovascular complications, which account for 70% to 80% of deaths among those with diabetes.